sodium [(Z,2R)-1-oxidanyl-1-oxidanylidene-tetracos-17-en-3-yn-2-yl] sulfate

Systemtic Name: sodium [(Z,2R)-1-oxidanyl-1-oxidanylidene-tetracos-17-en-3-yn-2-yl] sulfate Openeye Name: sodium [(Z,1R)-1-carboxytricos-16-en-2-ynyl] sulfate CAS Name: sodium [(Z,2R)-1-hydroxy-1-oxotetracos-17-en-3-yn-2-yl] sulfate IUPAC Name: sodium [(Z,2R)-1-hydroxy-1-oxotetracos-17-en-3-yn-2-yl] sulfate Traditional Name: sodium [(Z,1R)-1-carboxytricos-16-en-2-ynyl] sulfate Formula: C24H41NaO6S MolecularWeight: 480.63351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCCCC#CC(C(=O)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC/C=C\CCCCCCCCCCCCC#C[C@H](C(=O)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29;/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1/b8-7-;/t23-;/m1./s1